(1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane

C9H18N2O — CID 98255776

IUPAC(1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
SMILESCC(C)N1[C@H]2CNC[C@H]1COC2
InChIInChI=1S/C9H18N2O/c1-7(2)11-8-3-10-4-9(11)6-12-5-8/h7-10H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyDQDWNOGTDNAKEF-IUCAKERBSA-N
MW170.26 g/mol
LogP0.07
Rot. Bonds1

About (1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane

(1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane (PubChem CID 98255776) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
PubChem CID98255776
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
SMILESCC(C)N1[C@H]2CNC[C@H]1COC2
InChIInChI=1S/C9H18N2O/c1-7(2)11-8-3-10-4-9(11)6-12-5-8/h7-10H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyDQDWNOGTDNAKEF-IUCAKERBSA-N
XLogP0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The IUPAC name of (1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane (CID 98255776) is (1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for (1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The canonical SMILES for (1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane is CC(C)N1[C@H]2CNC[C@H]1COC2.
What is the InChIKey of (1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The InChIKey is DQDWNOGTDNAKEF-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)11-8-3-10-4-9(11)6-12-5-8/h7-10H,3-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
(1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane has a molecular weight of 170.26 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 98255776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).